3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione

C18H23N3O2 — CID 170954104

IUPAC3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione
SMILESCN1CCN(c2ccc(C3CCC(=O)NC3=O)cc2)CC12CC2
InChIInChI=1S/C18H23N3O2/c1-20-10-11-21(12-18(20)8-9-18)14-4-2-13(3-5-14)15-6-7-16(22)19-17(15)23/h2-5,15H,6-12H2,1H3,(H,19,22,23)
InChIKeyWFFZNOADXQOVHO-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.49
Rot. Bonds2

About 3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione

3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione (PubChem CID 170954104) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione
PubChem CID170954104
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione
SMILESCN1CCN(c2ccc(C3CCC(=O)NC3=O)cc2)CC12CC2
InChIInChI=1S/C18H23N3O2/c1-20-10-11-21(12-18(20)8-9-18)14-4-2-13(3-5-14)15-6-7-16(22)19-17(15)23/h2-5,15H,6-12H2,1H3,(H,19,22,23)
InChIKeyWFFZNOADXQOVHO-UHFFFAOYSA-N
XLogP1.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane
CID 177052728
3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione
CID 178116151
tert-butyl 2-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 178005256
2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride
CID 171820884
tert-butyl 2-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 170979463
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 170325363
(3R)-1-[4-(2,6-dioxopiperidin-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 171063396
3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione
CID 178005874
3-[4-[1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione
CID 177197826
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 168735277

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione (CID 170954104) is 3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione is CN1CCN(c2ccc(C3CCC(=O)NC3=O)cc2)CC12CC2.
What is the InChIKey of 3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione?
The InChIKey is WFFZNOADXQOVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20-10-11-21(12-18(20)8-9-18)14-4-2-13(3-5-14)15-6-7-16(22)19-17(15)23/h2-5,15H,6-12H2,1H3,(H,19,22,23).
What are the key properties of 3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione?
3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione has a molecular weight of 313.40 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 170954104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).